468769-61-1
Product Name:
(E)-2-cyano-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(3-nitrophenyl)prop-2-enamide
Formula:
C20H13FN4O3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 408.4 g/mol |
|---|---|
| XLogP3 | 4.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 5 |
| Exact Mass | 408.06923963 g/mol |
| Monoisotopic Mass | 408.06923963 g/mol |
| Topological Polar Surface Area | 140 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 681 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |